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1,2,4,5-四氟苯
1,2,4,5-四氟苯 · 1,2,4,5-四氟化苯 · 1,2,4,5-四氟苯,99% · 1,2,4,5-四氟苯(CAS号:327-54-8) · 1,2,4,5-TetrafL · p-Tetrafluorobenzene · 1,2,4,5-Tetrafluorbenzol · 1,2,4,5-Tetrafluorobenzyl
标识与物理属性
| CAS No. | 327-54-8 |
|---|---|
| 分子式 | C6H2F4 |
| 平均分子量 | 150.07 g/mol |
| 单同位素质量 | 150.00926271 g/mol |
| SMILES | Fc1cc(F)c(F)cc1F |
| InChIKey | SDXUIOOHCIQXRP-UHFFFAOYSA-N |
| PubChem CID | 9474 |
| EC No. | 206-319-3 |
| DTXSID | DTXSID90186367 |
| 中文名 | 1,2,4,5-四氟苯 |
化学与物理性质
| XLogP | 2.3 |
|---|---|
| 极性表面积 | 0 |
| 氢键供体 | 0 |
| 氢键受体 | 4 |
| 可旋转键 | 0 |
| 重原子 | 10 |
| 形式电荷 | 0 |
| 复杂度 | 90 |
| Kovats Retention Index | 604 |
| 熔点 | 4 °C (lit.) |
| 沸点 | 90 °C (lit.) |
| 密度 | 1.344 g/mL at 25 °C (lit.) |
| 折射率 | n20/D 1.407(lit.) |
| 闪点 | 61 °F |
| 储存条件 | Sealed in dry,2-8°C |
| 形态 | clear liquid |
| 颜色 | Colorless to Almost colorless |
| 比重 | 1.344 |
| 溶解性 | Not miscible or difficult to mix in water. |
| BRN | 1909052 |
| 亨利常数 | 5.6×10-4 mol/(m3Pa) at 25℃, Duchowicz et al. (2020) |
| InChI | InChI=1S/C6H2F4/c7-3-1-4(8)6(10)2-5(3)9/h1-2H |
| InChIKey | SDXUIOOHCIQXRP-UHFFFAOYSA-N |
| SMILES | C1(F)=CC(F)=C(F)C=C1F |
| CAS 数据库 | 327-54-8(CAS DataBase Reference) |
| NIST化学物质信息 | Benzene, 1,2,4,5-tetrafluoro-(327-54-8) |
化学性质
无色透明液体或白色结晶，纯度99%，熔点4℃，沸点90℃，闪点16℃，密度1.4255。
安全与法规
| GHS 分类 | DangerH225 (100%): Highly Flammable liquid and vapor [Danger Flammable liquids]H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]H335 (98.5%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposureRespiratory tract irritation]P210, P233, P240, P241, P242, P243, P261, P264, P264+P265, P271, P280, P302+P352, P303+P361+P353, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P370+P378, P403+P233, P403+P235, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 68 reports by companies from 7 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website. |
|---|---|
| Hazard Classes and Categories | Flam. Liq. 2 (100%)Skin Irrit. 2 (100%)Eye Irrit. 2 (100%)STOT SE 3 (98.5%) |
| 水危害等级（WGK） | 3 |
| hazard_note | Flammable/Irritant |
| 包装类别 | II |
| 危险类别 | 3Eye Irrit. 2Flam. Liq. 2Skin Irrit. 2STOT SE 3 |
| 储存类别 | 3 - Flammable liquids |
| 安全说明（S） | 16-26-36/37/39-37/39-33-7/9 |
| 海关编码 | 29039990 |
| 危险品标志 | F,Xi |
| 危险类别码（R） | 11-36/37/38 |
| 运输编号（UN） | UN 1993 3/PG 2 |
用途与应用
应用
1,2,4,5-四氟苯是一种应用广泛的化工原料中间体，其可作医药产品的中间体，也可用于制备四氟苯菊酯杀虫剂。
用途
用作医药中间体